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Information card for entry 7710957
Preview
| Coordinates | 7710957.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H33 F3 N3 Na O11 S |
|---|---|
| Calculated formula | C41 H33 F3 N3 Na O11 S |
| SMILES | S(=O)(=O)(C(F)(F)F)O[Na]123([n]4c5c6c7ccc([n]16)C(=[O]3)OCc1ccc(cc1)OCCOc1c(cccc1)OCCOc1ccc(cc1)C[O]2C(=O)c4ccc5cc7)[N]#CC |
| Title of publication | NDI integrated rotaxane/catenane and their interactions with anions |
| Authors of publication | Ghosh, Pradyut; Nandi, Mandira; Bej, Somnath |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 9.632 ± 0.005 Å |
| b | 11.523 ± 0.006 Å |
| c | 18.177 ± 0.01 Å |
| α | 90.087 ± 0.019° |
| β | 93.53 ± 0.02° |
| γ | 94.613 ± 0.017° |
| Cell volume | 2007.1 ± 1.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1391 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.2151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277230 (current) | 2022-08-13 | cif/ Adding structures of 7710957 via cif-deposit CGI script. |
7710957.cif |
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